2-(methylamino)acetaldehyde;molecular hydrogen;piperidine

C8H20N2O — CID 142960510

IUPAC2-(methylamino)acetaldehyde;molecular hydrogen;piperidine
SMILESC1CCNCC1.CNCC=O.[H][H]
InChIInChI=1S/C5H11N.C3H7NO.H2/c1-2-4-6-5-3-1;1-4-2-3-5;/h6H,1-5H2;3-4H,2H2,1H3;1H
InChIKeyQASOAUYJATVQHG-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.41
Rot. Bonds2

About 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine

2-(methylamino)acetaldehyde;molecular hydrogen;piperidine (PubChem CID 142960510) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine.

Molecular Properties

Compound Name2-(methylamino)acetaldehyde;molecular hydrogen;piperidine
PubChem CID142960510
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-(methylamino)acetaldehyde;molecular hydrogen;piperidine
SMILESC1CCNCC1.CNCC=O.[H][H]
InChIInChI=1S/C5H11N.C3H7NO.H2/c1-2-4-6-5-3-1;1-4-2-3-5;/h6H,1-5H2;3-4H,2H2,1H3;1H
InChIKeyQASOAUYJATVQHG-UHFFFAOYSA-N
XLogP0.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
azacyclotriacontane
CID 57238597
N-methylbutan-1-amine;piperidine
CID 143978162
N-phosphanylmethanamine;pyrrolidine
CID 91273779
2-(methylamino)acetaldehyde;2-methylpropane;propane
CID 142611186
methyl formate;pyrrolidine
CID 142871374
2-(methylamino)acetaldehyde;2-methylpropanoic acid
CID 23463592
ethane;methane;piperidine
CID 142115538

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine?
The IUPAC name of 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine (CID 142960510) is 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine.
What is the SMILES notation for 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine?
The canonical SMILES for 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine is C1CCNCC1.CNCC=O.[H][H].
What is the InChIKey of 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine?
The InChIKey is QASOAUYJATVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H7NO.H2/c1-2-4-6-5-3-1;1-4-2-3-5;/h6H,1-5H2;3-4H,2H2,1H3;1H.
What are the key properties of 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine?
2-(methylamino)acetaldehyde;molecular hydrogen;piperidine has a molecular weight of 160.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetaldehyde;molecular hydrogen;piperidine is sourced from PubChem (CID 142960510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).